Information card for entry 1562816

Structure parameters

• Formula: C17 H24 B10
• Calculated formula: C17 H24 B10
• SMILES: c1ccc(c2c1C(c1ccccc21)(C)C)[C]1234[CH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]8%16%11[BH]%11%17%12[BH]59%13[BH]16%11[BH]28%17[BH]3%14%16[BH]47%10%15
• Title of publication: Strategic molecular design of closo-ortho-carboranyl luminophores to manifest thermally activated delayed fluorescence
• Authors of publication: You, Dong Kyun; So, Hyunhee; Ryu, Chan Hee; Kim, Mingi; Lee, Kang Mun
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 12.297 ± 0.002 Å
• b: 10.173 ± 0.002 Å
• c: 15.922 ± 0.003 Å
• α: 90°
• β: 98.61 ± 0.03°
• γ: 90°
• Cell volume: 1969.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No